| SpectraBase Compound ID | 8z9eq0j2JBO |
|---|---|
| InChI | InChI=1S/C10H11FO/c1-7(8(2)12)9-3-5-10(11)6-4-9/h3-7H,1-2H3 |
| InChIKey | YAVUGYPYWDGIBK-UHFFFAOYSA-N |
| Mol Weight | 166.2 g/mol |
| Molecular Formula | C10H11FO |
| Exact Mass | 166.079393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B95bzt9Krhl |
|---|---|
| Name | 1-(4-Fluorophenyl)-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.079393136 u |
| Formula | C10H11FO |
| InChI | InChI=1S/C10H11FO/c1-7(8(2)12)9-3-5-10(11)6-4-9/h3-7H,1-2H3 |
| InChIKey | YAVUGYPYWDGIBK-UHFFFAOYSA-N |
| Molecular Weight | 166.195 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)F)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868422 |